methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-methyl-ammonium Formula: C14H23N3O+2 MolecularWeight: 249.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

C[NH2+]CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H21N3O/c1-15-11-14(18)17-9-7-16(8-10-17)12-13-5-3-2-4-6-13/h2-6,15H,7-12H2,1H3/p+2